Information card for entry 7005500

Structure parameters

• Common name: Hexacarbony-bis(9-(3-dimethylamino-propyl)-9- phosphabicyclo(3.3.1)nonane)-dicobalt
• Chemical name: Hexacarbony-bis(9-(3-dimethylamino-propyl)-9- phosphabicyclo[3.3.1]nonane)-dicobalt
• Formula: C32 H52 Co2 N2 O6 P2
• Calculated formula: C32 H52 Co2 N2 O6 P2
• SMILES: [P]1([Co](C#[O])(C#[O])(C#[O])[Co]([P]2(C3CCCC2CCC3)CCCN(C)C)(C#[O])(C#[O])C#[O])(C2CCCC1CCC2)CCCN(C)C
• Title of publication: Bicyclic phosphines as ligands for cobalt catalysed hydroformylation. Crystal structures of [Co(Phoban[3.3.1]-Q)(CO)(3)](2) (Q = C(2)H(5), C(5)H(11), C(3)H(6)NMe(2), C(6)H(11)).
• Authors of publication: Bungu, Peter N.; Otto, Stefanus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2876 - 2884
• a: 12.4773 ± 0.0002 Å
• b: 10.4794 ± 0.0002 Å
• c: 14.4129 ± 0.0002 Å
• α: 90°
• β: 111.492 ± 0.001°
• γ: 90°
• Cell volume: 1753.52 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No